3-[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[cyclohexyl(ethyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-2-21(13-8-4-3-5-9-13)16(23)12-22-18(24)15-11-7-6-10-14(15)17(20-22)19(25)26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,25,26)